canSAR2099493
FEATURES
Loading...
NAMES
    SMILES
    CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCCCO/N=C\c1ccc(C(C#N)c2ccccc2C#N)n1C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)OP(=O)(O)O
    InChI
    InChI=1S/C47H65N12O12P/c1-29(2)21-37(54-47(66)41-15-12-19-59(41)31(4)61)44(63)53-38(45(64)55-39(27-60)46(65)56-42(43(50)62)30(3)71-72(67,68)69)22-34-25-51-28-58(34)18-10-6-7-11-20-70-52-26-33-16-17-40(57(33)5)36(24-49)35-14-9-8-13-32(35)23-48/h8-9,13-14,16-17,25-26,28-30,36-39,41-42,60H,6-7,10-12,15,18-22,27H2,1-5H3,(H2,50,62)(H,53,63)(H,54,66)(H,55,64)(H,56,65)(H2,67,68,69)/b52-26-/t30-,36?,37+,38+,39+,41+,42+/m1/s1
    MOLECULAR FORMULA
    C47H65N12O12P
    CROSS REFERENCES
    Loading...
    canSAR2099493
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1020.46
    AlogP0.87
    HBond donors9
    HBond acceptors24
    Atoms137
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2099493.